[lammps-users] problem in calculation of thermal conductivity

dear lammps users,
i am trying to calculate the thermal conductivity of a (10,0) carbon nanotube containing 1600 atoms using the thermal conductivity fix in lammps.but when i print out the exchange kinetic energy.its always printing ‘0’…
the input script has been enclosed
units metal
dimension 3
boundary s s p
atom_style atomici
neighbor 0.3 bin
neigh_modify delay 0 every 20 check no
read_data cnt_fre.txt

dump 1 all xyz 100 dump.xyz1
#dump 1 all xyz 1 dump.xyz1
set atom all charge 1

pair_style airebo 2.5 0 1
pair_coeff * * airebo CH.airebo C

minimize 1.0e-5 1.0e-6 1000 10000

compute new2d all temp
fix 1 all nvt 300 300 100

velocity all create 300.0 873586443 dist gaussian
fix 2 all temp/rescale 10 300 300 10.0 1.0
fix_modify 2 temp new2d

thermo 100
thermo_modify temp new2d

timestep 0.001
run 1000
unfix 1
unfix 2

fix 3 all thermal/conductivity 100 z 160
compute ke all ke/atom
variable temp atom c_ke[]/(1.5*8.67e-5)
fix 4 all ave/spatial 10 100 1000 z lower 0.05 v_temp file tmp.profile units reduced
thermo_style custom step f_3
thermo 100

timestep 0.001
run 2000

i dunno wat seems to be the problem.

thanks in advance

vishnu.g

i

Fix therm/cond swaps atoms in 2 layers. The bottom layer is at the
bottom of the box. There are no atoms at the bottom of your box. Thus
the fix performs no swaps.

Steve